Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578880864102e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-6.451196320256258e-06 |
PASS |
Benzene Energy [step 20] |
-3.744529933934500e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
-6.448563539152019e-06 |
PASS |
Benzene Multipoles [step 0] |
5.978209147554571e-15 |
0.000000000000000e+00 |
1.000000000000000e-10 |
5.978209147554571e-15 |
PASS |
Benzene Multipoles [step 20] |
-9.520478523938465e-04 |
-9.520492016606303e-04 |
1.000000000000000e-07 |
1.349266783804565e-09 |
PASS |